CID 56912

Dodecanamide, n-(8-ethoxy-5-quinolylsulfonyl)-

Structural Information

Molecular Formula
C23H34N2O4S
SMILES
CCCCCCCCCCCC(=O)NS(=O)(=O)C1=C2C=CC=NC2=C(C=C1)OCC
InChI
InChI=1S/C23H34N2O4S/c1-3-5-6-7-8-9-10-11-12-15-22(26)25-30(27,28)21-17-16-20(29-4-2)23-19(21)14-13-18-24-23/h13-14,16-18H,3-12,15H2,1-2H3,(H,25,26)
InChIKey
KBBXKWIUFXHGIN-UHFFFAOYSA-N
Compound name
N-(8-ethoxyquinolin-5-yl)sulfonyldodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.22394 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.23122 206.8
[M+Na]+ 457.21316 210.5
[M-H]- 433.21666 208.1
[M+NH4]+ 452.25776 216.2
[M+K]+ 473.18710 205.1
[M+H-H2O]+ 417.22120 197.7
[M+HCOO]- 479.22214 219.7
[M+CH3COO]- 493.23779 230.5
[M+Na-2H]- 455.19861 207.8
[M]+ 434.22339 215.4
[M]- 434.22449 215.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.